2,2'-Dithiobis(N-phenylbenzamide)
Basic information
- CAS
2527-63-1- Standard SMILES
O=C(Nc1ccccc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1- InChIKey
BYTIQZZTIKOEDQ-UHFFFAOYSA-N- Molecular formula
- C26H20N2O2S2
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.09662023
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-phenylbenzamide)
- IUPAC
- N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]disulfanyl]benzamide
- English name
- N,N'-Dithiobis(N-phenylbenzamide)
- Molecular formula
- C26H20N2O2S2
- Molecular weight
- 456.58
Names & synonyms
2527-63-12,2'-Dithiobis(N-phenylbenzamide)N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]disulfanyl]benzamide2,2'-disulfanediylbis(N-phenylbenzamide)2,2'-Dithiobis[N-phenylbenzamide]di-thio-bis-benzanilide2,2'-DithiobenzanilideCHEMBL48213SCHEMBL2119604DTXSID10179918BYTIQZZTIKOEDQ-UHFFFAOYSA-NN,N'-Dithiobis(N-phenylbenzamide)
Show more names
Benzamide, 2,2'-dithiobis[N-phenyl-
AKOS037643364AS-15427
Database identifiers
- CAS
2527-63-1- PubChem CID
- 457467
- DTXSID
DTXSID10179918- ChEMBL
CHEMBL48213- Nikkaji
- J795.958C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Boiling point
- 511.4 · 511.4±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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